sodium acetate | 403646-30-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: sodium acetate
• 英文别名: sodium;acetate
• CAS: 403646-30-0
• 化学式: C₂H₃O₂*Na
• 分子量: 84.035
• InChiKey: VMHLLURERBWHNL-REVVOINZSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.24
• 重原子数：
  5.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  原乙酸三乙酯 、 重氧水 以 重水 为溶剂， 生成 sodium acetate 、 乙酸钠-18O2
  参考文献：
  名称：

  Reactions of Tp–Os nitrido complexes with the nucleophiles hydroxide and thiosulfate

  摘要：

  The reaction between TpOs(N)Cl-2 (1) [Tp = hydrotris(1-pyrazolyl)borate] and aqueous ((Bu4N)-Bu-n(OH) in THF-d(8) forms the nitrosyl complex TpOs(NO)Cl-2 (5) among other products, suggesting an initial hydroxide attack at the nitrido ligand. In contrast, the reaction of the acetate complex TpOs(N)(OAc)(2) (2) with NaOH in Me2CO/H2O yields the osmium bis-hydroxide complex TpOs(N)(OH)(2) (3), which has been structurally characterized by single-crystal X-ray diffraction. Acetate for hydroxide exchange could occur by ligand substitution or by nucleophilic attack at the carbonyl carbon of the acetate ligands (saponification). Reacting 2 with (NaOH)-O-18 in (H2O)-O-18/CD3CN yields predominantly doubly (18)O(-)labeled TpOs(N)((OH)-O-18)(2) (3-O-18(2)) and unlabeled acetate, by ESI/MS and C-13 {H-1} NMR. This indicates that hydroxide reacts by substitution rather than by attack at the ligand. The reaction of 2 with the softer nucleophile thiosulfate occurs at the nitrido ligand, giving the thionitrosyl complex TpOs(NS)(OAc)(2) (4). Reacting 4 with NaOH in (CD3)(2)CO/D2O also generates the bis-hydroxide complex 3. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.11.033